4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1-prop-1-ynyl-pyrazole

Systemtic Name: 4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1-prop-1-ynyl-pyrazole Openeye Name: 3-(4-methylsulfonylphenyl)-1-prop-1-ynyl-4-(p-tolyl)pyrazole CAS Name: 4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1-prop-1-ynylpyrazole IUPAC Name: 4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1-prop-1-ynylpyrazole Traditional Name: 3-(4-mesylphenyl)-1-prop-1-ynyl-4-(p-tolyl)pyrazole Formula: C20H18N2O2S MolecularWeight: 350.43412

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Descriptors Computed from Structure

Canonical SMILES:

CC#CN1C=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)C

Isomeric SMILES

CC#CN1C=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H18N2O2S/c1-4-13-22-14-19(16-7-5-15(2)6-8-16)20(21-22)17-9-11-18(12-10-17)25(3,23)24/h5-12,14H,1-3H3